(Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane

C12H31N3 — CID 177011104

IUPAC(Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane
SMILESC/C(N)=C/N(C)N.CCCC.CCCC
InChIInChI=1S/C4H11N3.2C4H10/c1-4(5)3-7(2)6;2*1-3-4-2/h3H,5-6H2,1-2H3;2*3-4H2,1-2H3/b4-3-;;
InChIKeyZXGJVKNJVHXILJ-GSBNXNDCSA-N
MW217.40 g/mol
LogP3.22
Rot. Bonds3

About (Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane

(Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane (PubChem CID 177011104) has the molecular formula C12H31N3 and a molecular weight of 217.40 g/mol. Its IUPAC name is (Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane.

Molecular Properties

Compound Name(Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane
PubChem CID177011104
Molecular FormulaC12H31N3
Molecular Weight217.40 g/mol
Exact Mass217.25
IUPAC Name(Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane
SMILESC/C(N)=C/N(C)N.CCCC.CCCC
InChIInChI=1S/C4H11N3.2C4H10/c1-4(5)3-7(2)6;2*1-3-4-2/h3H,5-6H2,1-2H3;2*3-4H2,1-2H3/b4-3-;;
InChIKeyZXGJVKNJVHXILJ-GSBNXNDCSA-N
XLogP3.22
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,4-Trimethyl-triazole
CID 129788352
(Z)-1-[amino(fluoromethyl)amino]prop-1-en-2-amine
CID 155330072
(Z)-1-[amino(2-fluoroethyl)amino]prop-1-en-2-amine
CID 167115798
(Z)-1-[amino(methyl)amino]prop-1-en-2-amine
CID 90246876
(Z)-1-[amino(2,2-dimethylpropyl)amino]prop-1-en-2-amine
CID 126542505
(Z)-1-[amino(tert-butyl)amino]prop-1-en-2-amine
CID 126545546
(Z)-1-[ethyl(methylamino)amino]-N-methylprop-1-en-2-amine
CID 129120831
(Z)-1-[amino(butyl)amino]but-1-en-2-amine
CID 130350767
(Z)-1-[amino(butyl)amino]pent-1-en-2-amine
CID 130350779
(Z)-1-[amino(butyl)amino]prop-1-en-2-amine
CID 132099792
(Z)-1-[amino(propan-2-yl)amino]-3-methylbut-1-en-2-amine
CID 134353912
(Z)-1-[amino(pentyl)amino]prop-1-en-2-amine
CID 134361082

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane?
The IUPAC name of (Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane (CID 177011104) is (Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane.
What is the SMILES notation for (Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane?
The canonical SMILES for (Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane is C/C(N)=C/N(C)N.CCCC.CCCC.
What is the InChIKey of (Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane?
The InChIKey is ZXGJVKNJVHXILJ-GSBNXNDCSA-N. The full InChI is InChI=1S/C4H11N3.2C4H10/c1-4(5)3-7(2)6;2*1-3-4-2/h3H,5-6H2,1-2H3;2*3-4H2,1-2H3/b4-3-;;.
What are the key properties of (Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane?
(Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane has a molecular weight of 217.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane is sourced from PubChem (CID 177011104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).